2,2-Dichloropropionic acid 2,2-Dichloropropionic acid
Structural formula
| Business number | 01KK |
|---|---|
| Molecular formula | C3H4Cl2O2 |
| Molecular weight | 142 |
| label |
Darabon, Alatex,Dowpon,Basfapon,Gramevin,Proprop, herbicide |
Numbering system
CAS number:75-99-0
MDL number:MFCD00004178
EINECS number:200-923-0
RTECS number:UF0690000
BRN number:1750149
PubChem number:24855182
Physical property data
1. Properties: colorless or light yellow liquid
2. Density (g/mL, 25/4℃): 1.4014
3. Relative density (20℃, 4℃): 1.38912
4. Melting point (ºC): 35.3℃
5. Boiling point (ºC): 187.5℃
6. Boiling point (ºC, 5.2kPa): 98-99℃ (2.67kPa), 90-92℃ (1.87kPa)
7. Refractive index: 1.4551
8 . Flash point (ºC): Uncertain
9. Specific rotation (º): Uncertain
10. Autoignition point or ignition temperature (ºC): Uncertain
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11. Vapor pressure (kPa, 25ºC): Uncertain
12. Saturated vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ /mol): Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Oil and water Log value of (octanol/water) partition coefficient: Uncertain
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V /V): Uncertain
19. Solubility: Soluble in water, alcohol, alkali solution and ether. Water solubility 50.2 g/100 mL.
Toxicological data
1. Acute toxicity
Rat skin LD50:>5mg/kg
2. Teratogenicity
Microorganisms: 500ppm
Ecological data
None
Molecular structure data
1. Molar refractive index: 27.17
2. Molar volume (cm3/mol): 95.4
3. Isotonic specific volume (90.2K ): 245.2
4. Surface tension (dyne/cm): 43.5
5. Polarizability (10-24cm3): 10.77
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.3
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecular polarity.�Area 37.3
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 88.9
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13 .Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored in a cool place.
Synthesis method
1. Obtained from chlorination of propionic acid.
2. Propylonitrile is produced by catalytic hydrogenation of acrylonitrile, followed by chlorination and hydrolysis.
Purpose
Used as pharmaceutical and pesticide intermediates. The herbicide can be prepared from 2,2-dichloropropionic acid and 2,4,5-trichlorophenoxyethanol.
This product is used as a herbicide, i.e. Cao Cao Ku, also known as Darapon.
